1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C23H33N5O2 — CID 46980929

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CN3CCCC(Cn4ccnc4C)C3)CC2)cc1
InChIInChI=1S/C23H33N5O2/c1-19-24-9-11-28(19)17-20-4-3-10-25(16-20)18-23(29)27-14-12-26(13-15-27)21-5-7-22(30-2)8-6-21/h5-9,11,20H,3-4,10,12-18H2,1-2H3
InChIKeyYODOCWGYUUOWMV-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.26
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 46980929) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID46980929
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CN3CCCC(Cn4ccnc4C)C3)CC2)cc1
InChIInChI=1S/C23H33N5O2/c1-19-24-9-11-28(19)17-20-4-3-10-25(16-20)18-23(29)27-14-12-26(13-15-27)21-5-7-22(30-2)8-6-21/h5-9,11,20H,3-4,10,12-18H2,1-2H3
InChIKeyYODOCWGYUUOWMV-UHFFFAOYSA-N
XLogP2.26
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 92612922
2-(azepan-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 42518071
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90494621
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
4-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 126451472
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51226334
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 91797183
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
2-(3-methoxyphenoxy)-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493100
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 46980929) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)CN3CCCC(Cn4ccnc4C)C3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is YODOCWGYUUOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-19-24-9-11-28(19)17-20-4-3-10-25(16-20)18-23(29)27-14-12-26(13-15-27)21-5-7-22(30-2)8-6-21/h5-9,11,20H,3-4,10,12-18H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 411.55 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46980929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).